CHEBI:137790 - chenodeoxycholic acid 24-O-(β-D-glucuronide)

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ChEBI Name chenodeoxycholic acid 24-O-(β-D-glucuronide) ChEBI ID CHEBI:137790 ChEBI ASCII Name chenodeoxycholic acid 24-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of chenodeoxycholic acid with the anomeric hydroxy group of β-D-glucuronic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H48O10 Net Charge 0 Average Mass 568.697 Monoisotopic Mass 568.32475 InChI InChI=1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1 InChIKey ZTJBLIAPAIPNJE-BWGRGVIUSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O)C)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) has role human urinary metabolite (CHEBI:84087) chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is a β-D-glucosiduronic acid (CHEBI:15341) chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is a O-acyl carbohydrate (CHEBI:52782) chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is a steroid glucosiduronic acid (CHEBI:26763) chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is conjugate acid of chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) Incoming chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) is conjugate base of chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) IUPAC Name 1-O-(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid Synonyms Sources 1-O-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acid IUPAC CDCA-24G ChEBI chenodeoxycholic acid 24-(β-D-glucuronide) ChEBI chenodeoxycholic acid 24-β-D-glucuronide ChEBI chenodeoxycholic acid 24-D-glucuronide ChEBI chenodeoxycholic acid 24-glucuronide ChEBI chenodeoxycholic acid 24-O-(β-D-glucuronic acid) ChEBI Registry Number Type Source 8046690 Reaxys Registry Number Reaxys Citations Types Sources 17058234 PubMed citation Europe PMC 23756265 PubMed citation Europe PMC 28550384 PubMed citation Europe PMC Last Modified 11 July 2017